7-(4,5-dimethylpyridazin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C13H15N5O — CID 146044898

IUPAC7-(4,5-dimethylpyridazin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1cnnc(N2CCc3c(nc[nH]c3=O)C2)c1C
InChIInChI=1S/C13H15N5O/c1-8-5-16-17-12(9(8)2)18-4-3-10-11(6-18)14-7-15-13(10)19/h5,7H,3-4,6H2,1-2H3,(H,14,15,19)
InChIKeyJHCBHZXCKJXQCV-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.74
Rot. Bonds1

About 7-(4,5-dimethylpyridazin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(4,5-dimethylpyridazin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 146044898) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 7-(4,5-dimethylpyridazin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4,5-dimethylpyridazin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID146044898
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name7-(4,5-dimethylpyridazin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1cnnc(N2CCc3c(nc[nH]c3=O)C2)c1C
InChIInChI=1S/C13H15N5O/c1-8-5-16-17-12(9(8)2)18-4-3-10-11(6-18)14-7-15-13(10)19/h5,7H,3-4,6H2,1-2H3,(H,14,15,19)
InChIKeyJHCBHZXCKJXQCV-UHFFFAOYSA-N
XLogP0.74
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[4-(azepan-1-yl)phthalazin-1-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 155955238
4,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyridazine
CID 146042599
7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 154569635
3,5-dimethyl-6-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 136930439
7-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 166329755
6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136693506
7-(2-methyl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 137212879
7-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 155495679
6-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 172892369
1-(4,5-dimethylpyridazin-3-yl)piperidine-4-sulfonamide
CID 154818775
7-(3-phenylpyrazolidine-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137267526
6-(6-ethoxypyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136532452

Frequently Asked Questions

What is the IUPAC name of 7-(4,5-dimethylpyridazin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(4,5-dimethylpyridazin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 146044898) is 7-(4,5-dimethylpyridazin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4,5-dimethylpyridazin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(4,5-dimethylpyridazin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1cnnc(N2CCc3c(nc[nH]c3=O)C2)c1C.
What is the InChIKey of 7-(4,5-dimethylpyridazin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is JHCBHZXCKJXQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-8-5-16-17-12(9(8)2)18-4-3-10-11(6-18)14-7-15-13(10)19/h5,7H,3-4,6H2,1-2H3,(H,14,15,19).
What are the key properties of 7-(4,5-dimethylpyridazin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(4,5-dimethylpyridazin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 257.30 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,5-dimethylpyridazin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 146044898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).